2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-[2-keto-1-[3-(2-naphthyl)benzyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C44H46N4O3 MolecularWeight: 678.86104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC6=CC=CC=C6C=C5)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC6=CC=CC=C6C=C5)C(=O)N

InChI

InChI=1S/C44H46N4O3/c1-4-5-20-36(41(45)49)38(25-29(2)3)43(50)47-42-44(51)48(39-22-12-11-21-37(39)40(46-42)32-16-7-6-8-17-32)28-30-14-13-19-33(26-30)35-24-23-31-15-9-10-18-34(31)27-35/h6-19,21-24,26-27,29,36,38,42H,4-5,20,25,28H2,1-3H3,(H2,45,49)(H,47,50)